Geometry & MOs

Info

ID:	237263
PubChem CID:	92718054
Reduced:	ClSN2O4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	461.152161
ΔH_f, kcal/mol:	-124.87
Dipole, Da:	7.72
IP(EA), eV:	-9.07(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-4-phenyl-4,5,7,9-tetrazatricyclo[7.5.0.02,6]tetradeca-1,5,7-trien-3-one

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OCC(=O)N[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl)NC(=O)C)C

DOS

IR

Vibrations